[(2-cyanoethyl)(methyl)sulfamoyl]dimethylamine

• ChemBase ID: 268781
• Molecular Formular: C6H13N3O2S
• Molecular Mass: 191.25132
• Monoisotopic Mass: 191.07284767
• SMILES: S(=O)(=O)(N(CCC#N)C)N(C)C
• Canonical SMILES: CN(S(=O)(=O)N(C)C)CCC#N
• InChI: InChI=1S/C6H13N3O2S/c1-8(2)12(10,11)9(3)6-4-5-7/h4,6H2,1-3H3
• InChIKey: DHPGSEUWTGMTSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-cyanoethyl)(methyl)sulfamoyl]dimethylamine
• IUPAC Traditional name: [(2-cyanoethyl)(methyl)sulfamoyl]dimethylamine
• Synonyms: [(2-cyanoethyl)(methyl)sulfamoyl]dimethylamine

Database IDs

• MDL Number: MFCD05695648
• PubChem SID: 164324691
• PubChem CID: 3765435

CALCULATED PROPERTIES

• Polar Surface Area: 64.41 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.3236561
• LogD (pH = 7.4): -1.3236548
• Log P: -1.3236548
• Molar Refractivity: 46.1917 cm^3
• Polarizability: 18.539532 Å^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.611

Product Information

• Purity: 95%